4-(3-fluoropropyl)piperidine-2-carboxylic acid

C9H16FNO2 — CID 18446265

IUPAC4-(3-fluoropropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCF)CCN1
InChIInChI=1S/C9H16FNO2/c10-4-1-2-7-3-5-11-8(6-7)9(12)13/h7-8,11H,1-6H2,(H,12,13)
InChIKeyHKPIZQOOESNATK-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.19
Rot. Bonds4

About 4-(3-fluoropropyl)piperidine-2-carboxylic acid

4-(3-fluoropropyl)piperidine-2-carboxylic acid (PubChem CID 18446265) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(3-fluoropropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoropropyl)piperidine-2-carboxylic acid
PubChem CID18446265
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-(3-fluoropropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCF)CCN1
InChIInChI=1S/C9H16FNO2/c10-4-1-2-7-3-5-11-8(6-7)9(12)13/h7-8,11H,1-6H2,(H,12,13)
InChIKeyHKPIZQOOESNATK-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-(3-phosphonopropyl)-2-piperidinecarboxylic acid
CID 10422256
CID 21126371
CID 21126371
3-(3-Boronopropyl)piperidine-2-carboxylic acid
CID 147778635
2,6-Piperidinedicarboxylic acid
CID 557515
(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
(2R,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 14850720
(2S,3R)-3-(2-boronoethyl)piperidine-2-carboxylic acid
CID 164619826
cis-Piperidine-2,6-dicarboxylic acid
CID 10942932
4-Piperidine butyric acid hydrochloride
CID 16217040
4-(Piperidin-4-yl)butanoic acid
CID 5167702
(2S,4R,6S)-6-Methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 14850747
(2R,4S,6R)-6-methyl-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 44277184

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-fluoropropyl)piperidine-2-carboxylic acid (CID 18446265) is 4-(3-fluoropropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluoropropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-fluoropropyl)piperidine-2-carboxylic acid is O=C(O)C1CC(CCCF)CCN1.
What is the InChIKey of 4-(3-fluoropropyl)piperidine-2-carboxylic acid?
The InChIKey is HKPIZQOOESNATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-4-1-2-7-3-5-11-8(6-7)9(12)13/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 4-(3-fluoropropyl)piperidine-2-carboxylic acid?
4-(3-fluoropropyl)piperidine-2-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18446265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).